data_11493 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR chemical shift of Streptomyces sp. N174 chitosanase ; _BMRB_accession_number 11493 _BMRB_flat_file_name bmr11493.str _Entry_type original _Submission_date 2012-04-09 _Accession_date 2012-04-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shinya Shoko . . 2 Brzezinski Ryszard . . 3 Fukamizo Tamo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 162 "13C chemical shifts" 403 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-02 original author . stop_ _Original_release_date 2012-05-02 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chitosan oligosaccharide binding to GH-46 chitosanase from Streptomyces sp. N174 as determined by NMR spectroscopy' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shinya Shoko . . 2 Brzezinski Ryszard . . 3 Fukamizo Tamo . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ####################################### # Cited references within the entry # ####################################### save_Citation_2 _Saveframe_category citation _Citation_full . _Citation_title 'Chitosanase from Streptomyces sp. strain N174: a comparative review of its structure and function' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9599657 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fukamizo Tamo . . 2 Brzezinski Ryszard . . stop_ _Journal_abbreviation 'Biochem. Cell. Biol.' _Journal_name_full 'Biochemistry and Cell Biology' _Journal_volume 75 _Journal_issue 'Number 6' _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 687 _Page_last 696 _Year 1997 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Streptomyce sp. N174 chitosanase' _Enzyme_commission_number 3.2.1.132 loop_ _Mol_system_component_name _Mol_label CsnN174 $CsnN174 stop_ _System_molecular_weight 25849 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CsnN174 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CsnN174 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 238 _Mol_residue_sequence ; AGAGLDDPHKKEIAMELVSS AENSSLDWKAQYKYIEDIGD GRGYTGGIIGFCSGTGDMLE LVQHYTDLEPGNILAKYLPA LKKVNGSASHSGLGTPFTKD WATAAKDTVFQQAQNDERDR VYFDPAVSQAKADGLRALGQ FAYYDAIVMHGPGNDPTSFG GIRKTAMKKARTPAQGGDET TYLNGFLDARKAAMLTEAAH DDTSRVDTEQRVFLKAGNLD LNPPLKWKTYGDPYVINS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 GLY 3 3 ALA 4 4 GLY 5 5 LEU 6 6 ASP 7 7 ASP 8 8 PRO 9 9 HIS 10 10 LYS 11 11 LYS 12 12 GLU 13 13 ILE 14 14 ALA 15 15 MET 16 16 GLU 17 17 LEU 18 18 VAL 19 19 SER 20 20 SER 21 21 ALA 22 22 GLU 23 23 ASN 24 24 SER 25 25 SER 26 26 LEU 27 27 ASP 28 28 TRP 29 29 LYS 30 30 ALA 31 31 GLN 32 32 TYR 33 33 LYS 34 34 TYR 35 35 ILE 36 36 GLU 37 37 ASP 38 38 ILE 39 39 GLY 40 40 ASP 41 41 GLY 42 42 ARG 43 43 GLY 44 44 TYR 45 45 THR 46 46 GLY 47 47 GLY 48 48 ILE 49 49 ILE 50 50 GLY 51 51 PHE 52 52 CYS 53 53 SER 54 54 GLY 55 55 THR 56 56 GLY 57 57 ASP 58 58 MET 59 59 LEU 60 60 GLU 61 61 LEU 62 62 VAL 63 63 GLN 64 64 HIS 65 65 TYR 66 66 THR 67 67 ASP 68 68 LEU 69 69 GLU 70 70 PRO 71 71 GLY 72 72 ASN 73 73 ILE 74 74 LEU 75 75 ALA 76 76 LYS 77 77 TYR 78 78 LEU 79 79 PRO 80 80 ALA 81 81 LEU 82 82 LYS 83 83 LYS 84 84 VAL 85 85 ASN 86 86 GLY 87 87 SER 88 88 ALA 89 89 SER 90 90 HIS 91 91 SER 92 92 GLY 93 93 LEU 94 94 GLY 95 95 THR 96 96 PRO 97 97 PHE 98 98 THR 99 99 LYS 100 100 ASP 101 101 TRP 102 102 ALA 103 103 THR 104 104 ALA 105 105 ALA 106 106 LYS 107 107 ASP 108 108 THR 109 109 VAL 110 110 PHE 111 111 GLN 112 112 GLN 113 113 ALA 114 114 GLN 115 115 ASN 116 116 ASP 117 117 GLU 118 118 ARG 119 119 ASP 120 120 ARG 121 121 VAL 122 122 TYR 123 123 PHE 124 124 ASP 125 125 PRO 126 126 ALA 127 127 VAL 128 128 SER 129 129 GLN 130 130 ALA 131 131 LYS 132 132 ALA 133 133 ASP 134 134 GLY 135 135 LEU 136 136 ARG 137 137 ALA 138 138 LEU 139 139 GLY 140 140 GLN 141 141 PHE 142 142 ALA 143 143 TYR 144 144 TYR 145 145 ASP 146 146 ALA 147 147 ILE 148 148 VAL 149 149 MET 150 150 HIS 151 151 GLY 152 152 PRO 153 153 GLY 154 154 ASN 155 155 ASP 156 156 PRO 157 157 THR 158 158 SER 159 159 PHE 160 160 GLY 161 161 GLY 162 162 ILE 163 163 ARG 164 164 LYS 165 165 THR 166 166 ALA 167 167 MET 168 168 LYS 169 169 LYS 170 170 ALA 171 171 ARG 172 172 THR 173 173 PRO 174 174 ALA 175 175 GLN 176 176 GLY 177 177 GLY 178 178 ASP 179 179 GLU 180 180 THR 181 181 THR 182 182 TYR 183 183 LEU 184 184 ASN 185 185 GLY 186 186 PHE 187 187 LEU 188 188 ASP 189 189 ALA 190 190 ARG 191 191 LYS 192 192 ALA 193 193 ALA 194 194 MET 195 195 LEU 196 196 THR 197 197 GLU 198 198 ALA 199 199 ALA 200 200 HIS 201 201 ASP 202 202 ASP 203 203 THR 204 204 SER 205 205 ARG 206 206 VAL 207 207 ASP 208 208 THR 209 209 GLU 210 210 GLN 211 211 ARG 212 212 VAL 213 213 PHE 214 214 LEU 215 215 LYS 216 216 ALA 217 217 GLY 218 218 ASN 219 219 LEU 220 220 ASP 221 221 LEU 222 222 ASN 223 223 PRO 224 224 PRO 225 225 LEU 226 226 LYS 227 227 TRP 228 228 LYS 229 229 THR 230 230 TYR 231 231 GLY 232 232 ASP 233 233 PRO 234 234 TYR 235 235 VAL 236 236 ILE 237 237 ASN 238 238 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11494 CsnN174_E22A 100.00 238 99.58 99.58 2.49e-173 PDB 1CHK "Streptomyces N174 Chitosanase Ph5.5 298k" 100.00 238 100.00 100.00 2.92e-174 GB AAA19865 "chitosanase precursor [Streptomyces sp.]" 100.00 278 99.58 99.58 2.20e-174 SP P33665 "RecName: Full=Chitosanase; Flags: Precursor" 100.00 278 99.58 99.58 2.20e-174 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $CsnN174 'Streptomyces sp.' 1931 Bacteria . Streptomyces sp. N174 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CsnN174 'recombinant technology' 'Streptomyces lividans' Streptomyces lividans TK24 pFD666 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CsnN174 0.1 mM '[U-13C; U-15N]' 'sodium acetate' 50 mM 'natural abundance' D2O 5 % '[U-99% 2H]' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CsnN174 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY H H 8.596 0.002 1 2 2 2 GLY C C 173.264 0.002 1 3 2 2 GLY CA C 44.631 0.008 1 4 2 2 GLY N N 108.319 0.011 1 5 3 3 ALA H H 8.502 0.001 1 6 3 3 ALA C C 178.786 0 1 7 3 3 ALA CA C 52.306 0.086 1 8 3 3 ALA CB C 19.468 0.042 1 9 3 3 ALA N N 123.182 0.022 1 10 4 4 GLY H H 8.694 0.003 1 11 4 4 GLY C C 174.181 0.006 1 12 4 4 GLY CA C 44.787 0 1 13 4 4 GLY N N 109.133 0.039 1 14 5 5 LEU H H 9.157 0.005 1 15 5 5 LEU C C 173.959 0.006 1 16 5 5 LEU CA C 55.597 0 1 17 5 5 LEU N N 122.942 0.01 1 18 6 6 ASP H H 8.245 0.006 1 19 6 6 ASP C C 177.709 0.032 1 20 6 6 ASP CA C 53.985 0 1 21 6 6 ASP CB C 40.046 0 1 22 6 6 ASP N N 107.271 0.037 1 23 7 7 ASP H H 7.539 0.002 1 24 7 7 ASP C C 174.867 0 1 25 7 7 ASP CA C 52.372 0 1 26 7 7 ASP CB C 43.066 0 1 27 7 7 ASP N N 124.599 0.011 1 28 8 8 PRO C C 179.058 0 1 29 8 8 PRO CA C 65.844 0 1 30 8 8 PRO CB C 32.294 0 1 31 9 9 HIS H H 8.27 0.004 1 32 9 9 HIS C C 177.224 0.019 1 33 9 9 HIS CA C 58.274 0 1 34 9 9 HIS CB C 28.305 0 1 35 9 9 HIS N N 116.656 0.024 1 36 10 10 LYS H H 8.019 0.003 1 37 10 10 LYS C C 177.383 0.015 1 38 10 10 LYS CA C 59.311 0 1 39 10 10 LYS CB C 31.466 0 1 40 10 10 LYS N N 120.54 0.051 1 41 11 11 LYS H H 9.125 0.006 1 42 11 11 LYS C C 178.089 0.001 1 43 11 11 LYS CA C 60.558 0 1 44 11 11 LYS CB C 31.465 0 1 45 11 11 LYS N N 122.521 0.03 1 46 12 12 GLU H H 7.147 0.002 1 47 12 12 GLU C C 178.31 0.037 1 48 12 12 GLU CA C 58.243 0 1 49 12 12 GLU N N 118.138 0.047 1 50 13 13 ILE H H 7.393 0.002 1 51 13 13 ILE C C 177.087 0.005 1 52 13 13 ILE CB C 37.121 0 1 53 13 13 ILE N N 120.075 0.06 1 54 14 14 ALA H H 8.42 0.005 1 55 14 14 ALA C C 178.953 0 1 56 14 14 ALA CA C 54.926 0 1 57 14 14 ALA CB C 18.003 0 1 58 14 14 ALA N N 120.953 0.095 1 59 15 15 MET H H 7.963 0.002 1 60 15 15 MET C C 181.032 0.021 1 61 15 15 MET CA C 56.317 0 1 62 15 15 MET CB C 28.697 0 1 63 15 15 MET N N 115.024 0.057 1 64 16 16 GLU H H 8.145 0.005 1 65 16 16 GLU CA C 59.526 0 1 66 16 16 GLU N N 121.92 0.013 1 67 17 17 LEU H H 7.593 0.005 1 68 17 17 LEU CA C 57.93 0 1 69 17 17 LEU N N 119.063 0.004 1 70 21 21 ALA H H 7.284 0.004 1 71 21 21 ALA C C 178.31 0.008 1 72 21 21 ALA CA C 53.017 0 1 73 21 21 ALA CB C 19.629 0 1 74 21 21 ALA N N 124.913 0.041 1 75 22 22 GLU H H 8.529 0.005 1 76 22 22 GLU C C 177.101 0.02 1 77 22 22 GLU CA C 57.801 0 1 78 22 22 GLU CB C 30.796 0 1 79 22 22 GLU N N 118.309 0.009 1 80 23 23 ASN H H 9.03 0.002 1 81 23 23 ASN C C 174.125 0.004 1 82 23 23 ASN CB C 41.175 0 1 83 23 23 ASN N N 112.558 0.051 1 84 24 24 SER H H 7.101 0.003 1 85 24 24 SER N N 112.118 0.03 1 86 25 25 SER H H 6.776 0.004 1 87 25 25 SER CB C 64.642 0 1 88 25 25 SER N N 106.97 0.004 1 89 26 26 LEU H H 9.278 0.002 1 90 26 26 LEU C C 177.39 0.006 1 91 26 26 LEU N N 125.782 0.017 1 92 27 27 ASP H H 8.403 0.003 1 93 27 27 ASP C C 176.334 0.006 1 94 27 27 ASP CA C 52.224 0 1 95 27 27 ASP CB C 38.075 0 1 96 27 27 ASP N N 118.96 0.106 1 97 28 28 TRP H H 8.058 0.003 1 98 28 28 TRP C C 178.4 0.005 1 99 28 28 TRP CA C 58.039 0 1 100 28 28 TRP N N 127.901 0.042 1 101 29 29 LYS H H 7.483 0.002 1 102 29 29 LYS C C 178.093 0.002 1 103 29 29 LYS CA C 58.182 0 1 104 29 29 LYS N N 120.897 0.015 1 105 30 30 ALA H H 7.217 0.002 1 106 30 30 ALA C C 178.293 0.016 1 107 30 30 ALA CA C 53.682 0 1 108 30 30 ALA CB C 17.688 0 1 109 30 30 ALA N N 122.107 0.051 1 110 31 31 GLN H H 7.269 0.006 1 111 31 31 GLN CA C 54.738 0 1 112 31 31 GLN CB C 29.924 0 1 113 31 31 GLN N N 110.253 0.024 1 114 32 32 TYR H H 7.573 0.011 1 115 32 32 TYR C C 178.553 0.015 1 116 32 32 TYR CB C 37.308 0 1 117 32 32 TYR N N 119.717 0.017 1 118 33 33 LYS H H 7.5 0.004 1 119 33 33 LYS C C 174.307 0 1 120 33 33 LYS CA C 55.537 0 1 121 33 33 LYS CB C 33.089 0 1 122 33 33 LYS N N 109.389 0.047 1 123 34 34 TYR H H 7.331 0.003 1 124 34 34 TYR C C 174.634 0.016 1 125 34 34 TYR CA C 58.031 0 1 126 34 34 TYR CB C 38.719 0 1 127 34 34 TYR N N 124.249 0.036 1 128 35 35 ILE H H 7.391 0.005 1 129 35 35 ILE C C 172.565 0.015 1 130 35 35 ILE CA C 59.4 0 1 131 35 35 ILE CB C 37.121 0 1 132 35 35 ILE N N 123.203 0.047 1 133 36 36 GLU H H 8.781 0.003 1 134 36 36 GLU C C 174.309 0.007 1 135 36 36 GLU CA C 55.301 0 1 136 36 36 GLU CB C 32.521 0 1 137 36 36 GLU N N 125.81 0.048 1 138 37 37 ASP H H 8.967 0.006 1 139 37 37 ASP C C 177.582 0.001 1 140 37 37 ASP CA C 52.6 0 1 141 37 37 ASP CB C 40.175 0 1 142 37 37 ASP N N 123.281 0.036 1 143 38 38 ILE H H 8.804 0.002 1 144 38 38 ILE C C 178.039 0.001 1 145 38 38 ILE CB C 37.665 0 1 146 38 38 ILE N N 121.993 0 1 147 39 39 GLY H H 9.573 0.003 1 148 39 39 GLY C C 174.513 0 1 149 39 39 GLY CA C 46.279 0.131 1 150 39 39 GLY N N 111.592 0.005 1 151 40 40 ASP H H 8.119 0.002 1 152 40 40 ASP C C 176.398 0.003 1 153 40 40 ASP CA C 52.954 0.02 1 154 40 40 ASP CB C 40.218 0.028 1 155 40 40 ASP N N 117.693 0.054 1 156 41 41 GLY H H 8.708 0.004 1 157 41 41 GLY C C 174.274 0.065 1 158 41 41 GLY CA C 44.699 0.041 1 159 41 41 GLY N N 109.473 0.04 1 160 42 42 ARG H H 7.719 0.009 1 161 42 42 ARG C C 175.485 0.01 1 162 42 42 ARG CA C 56.206 0.014 1 163 42 42 ARG N N 118.62 0.05 1 164 43 43 GLY H H 8.413 0.004 1 165 43 43 GLY CA C 43.739 0 1 166 43 43 GLY N N 106.457 0.032 1 167 45 45 THR H H 8.863 0.004 1 168 45 45 THR C C 173.898 0.016 1 169 45 45 THR CA C 60.777 0.015 1 170 45 45 THR CB C 69.93 0 1 171 45 45 THR N N 119.953 0.022 1 172 46 46 GLY H H 9.453 0.005 1 173 46 46 GLY C C 174.285 0.006 1 174 46 46 GLY CA C 45.388 0.083 1 175 46 46 GLY N N 110.115 0.045 1 176 47 47 GLY H H 9.587 0.003 1 177 47 47 GLY C C 180.938 0 1 178 47 47 GLY CA C 45.781 0 1 179 47 47 GLY N N 104.836 0.002 1 180 61 61 LEU H H 7.976 0.003 1 181 61 61 LEU C C 177.873 0.004 1 182 61 61 LEU CA C 58.344 0.061 1 183 61 61 LEU N N 120.111 0.054 1 184 62 62 VAL H H 8.636 0.008 1 185 62 62 VAL C C 179.497 0.003 1 186 62 62 VAL CA C 67.393 0.029 1 187 62 62 VAL CB C 30.615 0.012 1 188 62 62 VAL N N 120.091 0.029 1 189 63 63 GLN H H 9.145 0.004 1 190 63 63 GLN C C 177.27 0.002 1 191 63 63 GLN CA C 59.517 0.086 1 192 63 63 GLN CB C 27.843 0.064 1 193 63 63 GLN N N 125.342 0.039 1 194 64 64 HIS H H 8.654 0.003 1 195 64 64 HIS C C 176.694 0 1 196 64 64 HIS CA C 58.71 0 1 197 64 64 HIS CB C 28.093 0 1 198 64 64 HIS N N 120.228 0.051 1 199 65 65 TYR H H 9.066 0.004 1 200 65 65 TYR CA C 57.382 0 1 201 65 65 TYR N N 118.161 0.014 1 202 67 67 ASP H H 8.145 0.001 1 203 67 67 ASP C C 178.351 0.014 1 204 67 67 ASP CA C 56.778 0.052 1 205 67 67 ASP CB C 39.59 0.139 1 206 67 67 ASP N N 123.206 0.008 1 207 68 68 LEU H H 7.362 0.003 1 208 68 68 LEU C C 177.842 0.054 1 209 68 68 LEU CA C 56.586 0.056 1 210 68 68 LEU CB C 42.915 0.022 1 211 68 68 LEU N N 117.2 0.059 1 212 69 69 GLU H H 8.256 0.001 1 213 69 69 GLU C C 171.269 0 1 214 69 69 GLU CB C 29.661 0 1 215 69 69 GLU N N 119.771 0.048 1 216 70 70 PRO C C 177.791 0 1 217 70 70 PRO CA C 64.528 0 1 218 70 70 PRO CB C 31.484 0 1 219 71 71 GLY H H 8.653 0.002 1 220 71 71 GLY CA C 45.2 0.021 1 221 71 71 GLY N N 106.138 0.012 1 222 72 72 ASN H H 6.999 0.003 1 223 72 72 ASN C C 175.144 0.01 1 224 72 72 ASN CA C 53.492 0.073 1 225 72 72 ASN CB C 39.545 0.062 1 226 72 72 ASN N N 116.221 0.007 1 227 73 73 ILE H H 8.52 0.003 1 228 73 73 ILE CA C 63.996 0 1 229 73 73 ILE CB C 42.52 0 1 230 73 73 ILE N N 117.441 0.058 1 231 74 74 LEU H H 9.005 0.004 1 232 74 74 LEU C C 178.254 0.003 1 233 74 74 LEU CA C 53.962 0.041 1 234 74 74 LEU CB C 42.595 0.076 1 235 74 74 LEU N N 118.896 0.052 1 236 75 75 ALA H H 7.242 0.005 1 237 75 75 ALA C C 181.101 0.009 1 238 75 75 ALA CA C 55.134 0.006 1 239 75 75 ALA CB C 17.969 0.096 1 240 75 75 ALA N N 126.314 0.015 1 241 76 76 LYS H H 8.342 0.005 1 242 76 76 LYS C C 176.88 0 1 243 76 76 LYS CA C 56.975 0 1 244 76 76 LYS CB C 30.158 0 1 245 76 76 LYS N N 115.496 0.022 1 246 84 84 VAL H H 8.298 0.004 1 247 84 84 VAL C C 176.283 0.009 1 248 84 84 VAL CA C 62.238 0.026 1 249 84 84 VAL N N 109.363 0.057 1 250 85 85 ASN H H 6.804 0.003 1 251 85 85 ASN C C 176.203 0.033 1 252 85 85 ASN CA C 54.712 0.01 1 253 85 85 ASN CB C 37.706 0.067 1 254 85 85 ASN N N 118.853 0.014 1 255 86 86 GLY H H 8.124 0.002 1 256 86 86 GLY CA C 45.106 0.01 1 257 86 86 GLY N N 116.406 0.032 1 258 87 87 SER H H 8.898 0.003 1 259 87 87 SER C C 171.685 0.005 1 260 87 87 SER CA C 56.971 0.067 1 261 87 87 SER CB C 68.762 0.053 1 262 87 87 SER N N 118.195 0.042 1 263 88 88 ALA H H 8.483 0.004 1 264 88 88 ALA C C 176.459 0.013 1 265 88 88 ALA CA C 50.486 0.024 1 266 88 88 ALA CB C 17.845 0 1 267 88 88 ALA N N 120.715 0.069 1 268 89 89 SER H H 7.596 0.001 1 269 89 89 SER CA C 58.679 0.065 1 270 89 89 SER CB C 63.983 0.081 1 271 89 89 SER N N 110.676 0.046 1 272 90 90 HIS H H 8.793 0.002 1 273 90 90 HIS C C 175.706 0.001 1 274 90 90 HIS CA C 52.021 0.01 1 275 90 90 HIS CB C 29.648 0.042 1 276 90 90 HIS N N 120.158 0.018 1 277 91 91 SER H H 8.594 0.003 1 278 91 91 SER CA C 60.533 0.01 1 279 91 91 SER CB C 62.802 0.005 1 280 91 91 SER N N 120.303 0.007 1 281 92 92 GLY H H 8.682 0.005 1 282 92 92 GLY CA C 45.289 0.074 1 283 92 92 GLY N N 113.464 0.022 1 284 93 93 LEU H H 7.968 0.004 1 285 93 93 LEU C C 176.023 0.009 1 286 93 93 LEU CA C 53.923 0.028 1 287 93 93 LEU CB C 39.928 0 1 288 93 93 LEU N N 120.596 0.043 1 289 94 94 GLY H H 7.364 0.003 1 290 94 94 GLY CA C 45.444 0.026 1 291 94 94 GLY N N 108.167 0.066 1 292 95 95 THR H H 8.878 0.002 1 293 95 95 THR CA C 65.938 0 1 294 95 95 THR CB C 67.228 0 1 295 95 95 THR N N 116.073 0 1 296 98 98 THR H H 7.947 0.001 1 297 98 98 THR CA C 65.242 0.006 1 298 98 98 THR CB C 67.166 0.022 1 299 98 98 THR N N 109.635 0 1 300 99 99 LYS H H 8.347 0.006 1 301 99 99 LYS C C 178.975 0.008 1 302 99 99 LYS CA C 59.407 0.052 1 303 99 99 LYS CB C 31.885 0.057 1 304 99 99 LYS N N 125.621 0.052 1 305 100 100 ASP H H 8.256 0.003 1 306 100 100 ASP C C 177.563 0.008 1 307 100 100 ASP CA C 57.47 0.017 1 308 100 100 ASP CB C 40.177 0.037 1 309 100 100 ASP N N 121.776 0.059 1 310 101 101 TRP H H 8.747 0.002 1 311 101 101 TRP C C 176.697 0.002 1 312 101 101 TRP CA C 61.483 0.088 1 313 101 101 TRP N N 123.003 0.029 1 314 102 102 ALA H H 7.229 0.004 1 315 102 102 ALA C C 180.544 0.003 1 316 102 102 ALA CA C 55.612 0.002 1 317 102 102 ALA CB C 17.608 0.018 1 318 102 102 ALA N N 118.825 0.023 1 319 103 103 THR H H 8.062 0.004 1 320 103 103 THR CA C 66.4 0.037 1 321 103 103 THR CB C 68.058 0.006 1 322 103 103 THR N N 117.238 0.005 1 323 104 104 ALA H H 8.964 0.006 1 324 104 104 ALA C C 178.257 0.014 1 325 104 104 ALA CA C 54.78 0.046 1 326 104 104 ALA CB C 16.693 0.052 1 327 104 104 ALA N N 127.754 0.026 1 328 105 105 ALA H H 7.898 0.001 1 329 105 105 ALA C C 177.509 0.009 1 330 105 105 ALA CA C 54.284 0 1 331 105 105 ALA CB C 16.979 0.037 1 332 105 105 ALA N N 116.426 0.04 1 333 106 106 LYS H H 7.493 0.003 1 334 106 106 LYS C C 176.101 0.015 1 335 106 106 LYS CA C 56.928 0.004 1 336 106 106 LYS CB C 32.331 0.034 1 337 106 106 LYS N N 117.529 0.056 1 338 107 107 ASP H H 8.28 0.003 1 339 107 107 ASP C C 178.113 0.024 1 340 107 107 ASP CA C 53.03 0 1 341 107 107 ASP CB C 40.359 0 1 342 107 107 ASP N N 120.7 0.054 1 343 108 108 THR H H 8.95 0.004 1 344 108 108 THR CA C 64.986 0 1 345 108 108 THR CB C 68.053 0 1 346 108 108 THR N N 123.636 0.033 1 347 112 112 GLN H H 8.045 0.001 1 348 112 112 GLN C C 177.22 0.013 1 349 112 112 GLN CA C 58.463 0.027 1 350 112 112 GLN N N 118.359 0.004 1 351 113 113 ALA H H 8.367 0.004 1 352 113 113 ALA C C 179.129 0.002 1 353 113 113 ALA CA C 55.313 0 1 354 113 113 ALA CB C 16.666 0.017 1 355 113 113 ALA N N 120.614 0.078 1 356 114 114 GLN H H 7.879 0.007 1 357 114 114 GLN C C 178.003 0.003 1 358 114 114 GLN CA C 60.734 0.076 1 359 114 114 GLN CB C 28.436 0 1 360 114 114 GLN N N 116.499 0.03 1 361 115 115 ASN H H 8.703 0.003 1 362 115 115 ASN C C 177.202 0.01 1 363 115 115 ASN CA C 55.823 0.057 1 364 115 115 ASN CB C 37.064 0.052 1 365 115 115 ASN N N 121.515 0.06 1 366 116 116 ASP H H 9.363 0.002 1 367 116 116 ASP C C 179.342 0 1 368 116 116 ASP CA C 56.913 0 1 369 116 116 ASP CB C 40.078 0 1 370 116 116 ASP N N 119.563 0.006 1 371 125 125 PRO C C 179.544 0 1 372 125 125 PRO CA C 66.033 0 1 373 125 125 PRO CB C 31.049 0 1 374 126 126 ALA H H 7.266 0.005 1 375 126 126 ALA C C 178.827 0.022 1 376 126 126 ALA CA C 55.595 0.074 1 377 126 126 ALA CB C 17.859 0.046 1 378 126 126 ALA N N 119.087 0.067 1 379 127 127 VAL H H 8.48 0.004 1 380 127 127 VAL C C 178.471 0.002 1 381 127 127 VAL N N 118.364 0.027 1 382 128 128 SER H H 8.614 0.002 1 383 128 128 SER CA C 61.8 0.006 1 384 128 128 SER N N 114.796 0.022 1 385 129 129 GLN H H 7.875 0.005 1 386 129 129 GLN C C 178.084 0.006 1 387 129 129 GLN CA C 57.573 0.033 1 388 129 129 GLN CB C 29.157 0 1 389 129 129 GLN N N 122.546 0.035 1 390 130 130 ALA H H 8.489 0.003 1 391 130 130 ALA C C 179.686 0.002 1 392 130 130 ALA CA C 54.995 0.071 1 393 130 130 ALA CB C 20.061 0.031 1 394 130 130 ALA N N 122.595 0.036 1 395 131 131 LYS H H 8.703 0.004 1 396 131 131 LYS C C 181.193 0.036 1 397 131 131 LYS N N 118.902 0.034 1 398 132 132 ALA H H 8.176 0.005 1 399 132 132 ALA C C 179.342 0.009 1 400 132 132 ALA CA C 55.015 0.033 1 401 132 132 ALA CB C 17.224 0.082 1 402 132 132 ALA N N 124.897 0.063 1 403 133 133 ASP H H 7.659 0.004 1 404 133 133 ASP C C 175.693 0.004 1 405 133 133 ASP CA C 55.2 0.005 1 406 133 133 ASP CB C 40.615 0.089 1 407 133 133 ASP N N 118.321 0.025 1 408 134 134 GLY H H 7.967 0.004 1 409 134 134 GLY CA C 45.695 0.014 1 410 134 134 GLY N N 109.631 0.044 1 411 135 135 LEU H H 7.821 0.002 1 412 135 135 LEU C C 179.055 0.001 1 413 135 135 LEU CA C 53.791 0.035 1 414 135 135 LEU CB C 42.632 0.044 1 415 135 135 LEU N N 117.39 0.001 1 416 136 136 ARG H H 9.989 0.004 1 417 136 136 ARG C C 175.935 0.012 1 418 136 136 ARG CA C 56.802 0.037 1 419 136 136 ARG N N 125.293 0.034 1 420 137 137 ALA H H 8.988 0.008 1 421 137 137 ALA C C 178.628 0.03 1 422 137 137 ALA CA C 56.469 0.019 1 423 137 137 ALA N N 120.001 0.051 1 424 138 138 LEU H H 8.217 0.005 1 425 138 138 LEU C C 177.997 0.033 1 426 138 138 LEU CA C 58.906 0.041 1 427 138 138 LEU N N 117.633 0.048 1 428 139 139 GLY H H 9.48 0.009 1 429 139 139 GLY CA C 48.596 0.043 1 430 139 139 GLY N N 109.814 0.053 1 431 140 140 GLN H H 8.124 0.001 1 432 140 140 GLN C C 176.887 0.003 1 433 140 140 GLN CA C 58.569 0.076 1 434 140 140 GLN CB C 27.981 0.021 1 435 140 140 GLN N N 119.609 0.042 1 436 141 141 PHE H H 8.766 0.003 1 437 141 141 PHE C C 175.31 0.008 1 438 141 141 PHE CA C 61.274 0 1 439 141 141 PHE CB C 38.551 0.008 1 440 141 141 PHE N N 119.347 0.038 1 441 142 142 ALA H H 9.182 0.006 1 442 142 142 ALA C C 181.493 0.016 1 443 142 142 ALA CA C 54.404 0.078 1 444 142 142 ALA CB C 16.43 0.093 1 445 142 142 ALA N N 123.151 0.078 1 446 143 143 TYR H H 8.127 0.009 1 447 143 143 TYR C C 176.233 0.027 1 448 143 143 TYR CA C 59.323 0.021 1 449 143 143 TYR CB C 35.683 0.088 1 450 143 143 TYR N N 119.331 0.072 1 451 144 144 TYR H H 7.827 0.002 1 452 144 144 TYR CA C 59.88 0.007 1 453 144 144 TYR N N 121.677 0.03 1 454 145 145 ASP H H 8.873 0.002 1 455 145 145 ASP CA C 57.115 0.047 1 456 145 145 ASP CB C 42.947 0.01 1 457 145 145 ASP N N 117.686 0.062 1 458 146 146 ALA H H 7.342 0.003 1 459 146 146 ALA C C 178.791 0.017 1 460 146 146 ALA CA C 54.111 0.048 1 461 146 146 ALA CB C 18.967 0.03 1 462 146 146 ALA N N 114.417 0.031 1 463 147 147 ILE H H 8.486 0.008 1 464 147 147 ILE C C 173.295 0 1 465 147 147 ILE CA C 66.269 0 1 466 147 147 ILE CB C 37.637 0 1 467 147 147 ILE N N 122.254 0.045 1 468 152 152 PRO C C 177.027 0 1 469 152 152 PRO CA C 62.513 0 1 470 152 152 PRO CB C 32.499 0 1 471 153 153 GLY H H 8.919 0.001 1 472 153 153 GLY C C 173.293 0.002 1 473 153 153 GLY CA C 44.404 0.024 1 474 153 153 GLY N N 108.607 0.066 1 475 154 154 ASN H H 8.418 0.003 1 476 154 154 ASN C C 175.407 0.019 1 477 154 154 ASN CA C 52.855 0.021 1 478 154 154 ASN CB C 39.99 0.003 1 479 154 154 ASN N N 114.194 0.043 1 480 155 155 ASP H H 8.093 0.002 1 481 155 155 ASP C C 175.192 0 1 482 155 155 ASP CA C 54.128 0 1 483 155 155 ASP CB C 38.462 0 1 484 155 155 ASP N N 121.26 0.06 1 485 156 156 PRO C C 176.407 0 1 486 156 156 PRO CA C 66.718 0 1 487 156 156 PRO CB C 32.638 0 1 488 157 157 THR H H 7.509 0.002 1 489 157 157 THR CA C 60.441 0.046 1 490 157 157 THR CB C 68.124 0 1 491 157 157 THR N N 101.27 0.03 1 492 158 158 SER H H 7.571 0.006 1 493 158 158 SER C C 173.82 0.007 1 494 158 158 SER CA C 58.285 0.026 1 495 158 158 SER CB C 64.459 0.003 1 496 158 158 SER N N 116.67 0.06 1 497 159 159 PHE H H 8.946 0.001 1 498 159 159 PHE CA C 62.099 0.077 1 499 159 159 PHE N N 120.154 0.014 1 500 160 160 GLY H H 8.223 0.001 1 501 160 160 GLY CA C 46.772 0.021 1 502 160 160 GLY N N 104.131 0.016 1 503 161 161 GLY H H 6.996 0.005 1 504 161 161 GLY N N 110.17 0.005 1 505 162 162 ILE H H 7.999 0.003 1 506 162 162 ILE CA C 65.117 0.088 1 507 162 162 ILE N N 125.758 0.01 1 508 163 163 ARG H H 7.745 0.002 1 509 163 163 ARG CB C 30.252 0 1 510 163 163 ARG N N 118.519 0 1 511 173 173 PRO C C 179.481 0 1 512 173 173 PRO CA C 66.077 0 1 513 173 173 PRO CB C 30.314 0 1 514 174 174 ALA H H 7.551 0.003 1 515 174 174 ALA CA C 54.816 0 1 516 174 174 ALA CB C 17.543 0 1 517 174 174 ALA N N 121.191 0.014 1 518 175 175 GLN H H 7.39 0.003 1 519 175 175 GLN C C 175.768 0.009 1 520 175 175 GLN CA C 54.91 0 1 521 175 175 GLN CB C 29.55 0 1 522 175 175 GLN N N 115.765 0.049 1 523 176 176 GLY H H 7.917 0 1 524 176 176 GLY N N 107.671 0.03 1 525 177 177 GLY H H 8.173 0.003 1 526 177 177 GLY CA C 43.582 0 1 527 177 177 GLY N N 108.82 0.028 1 528 188 188 ASP H H 8.137 0.005 1 529 188 188 ASP C C 178.879 0.013 1 530 188 188 ASP CA C 57.466 0.166 1 531 188 188 ASP CB C 39.401 0.063 1 532 188 188 ASP N N 118.994 0.058 1 533 189 189 ALA H H 7.915 0.004 1 534 189 189 ALA C C 179.643 0.003 1 535 189 189 ALA CA C 54.159 0 1 536 189 189 ALA CB C 17.916 0.007 1 537 189 189 ALA N N 124.248 0.046 1 538 190 190 ARG H H 8.807 0.003 1 539 190 190 ARG CA C 59.722 0.092 1 540 190 190 ARG N N 122.729 0.011 1 541 191 191 LYS H H 8.715 0.002 1 542 191 191 LYS C C 177.274 0.002 1 543 191 191 LYS CA C 60.148 0.046 1 544 191 191 LYS CB C 28.261 0 1 545 191 191 LYS N N 121.035 0.003 1 546 192 192 ALA H H 7.777 0.004 1 547 192 192 ALA C C 180.374 0.001 1 548 192 192 ALA CA C 54.769 0.015 1 549 192 192 ALA CB C 17.256 0.036 1 550 192 192 ALA N N 118.556 0.06 1 551 193 193 ALA H H 7.574 0.003 1 552 193 193 ALA C C 180.553 0.015 1 553 193 193 ALA CA C 54.822 0.037 1 554 193 193 ALA CB C 17.709 0.038 1 555 193 193 ALA N N 120.833 0.031 1 556 194 194 MET H H 8.256 0.003 1 557 194 194 MET C C 177.377 0.011 1 558 194 194 MET CA C 60.082 0.065 1 559 194 194 MET CB C 29.595 0 1 560 194 194 MET N N 119.108 0.053 1 561 195 195 LEU H H 7.613 0.004 1 562 195 195 LEU C C 178.428 0.002 1 563 195 195 LEU CA C 55.839 0.01 1 564 195 195 LEU N N 115.841 0.028 1 565 196 196 THR H H 7.681 0.002 1 566 196 196 THR C C 175.118 0.024 1 567 196 196 THR CA C 64.692 0.007 1 568 196 196 THR CB C 69.272 0.05 1 569 196 196 THR N N 114.486 0.015 1 570 197 197 GLU H H 7.89 0.005 1 571 197 197 GLU C C 176.226 0.001 1 572 197 197 GLU CA C 56.568 0.038 1 573 197 197 GLU CB C 29.482 0.054 1 574 197 197 GLU N N 121.222 0.04 1 575 198 198 ALA H H 8.216 0.002 1 576 198 198 ALA C C 177.327 0.046 1 577 198 198 ALA CA C 53.01 0.023 1 578 198 198 ALA CB C 18.127 0.047 1 579 198 198 ALA N N 123.971 0.045 1 580 199 199 ALA H H 8.155 0.001 1 581 199 199 ALA C C 178.064 0.013 1 582 199 199 ALA CA C 53.658 0.031 1 583 199 199 ALA CB C 18.492 0.047 1 584 199 199 ALA N N 121.005 0.072 1 585 200 200 HIS H H 8.179 0.003 1 586 200 200 HIS C C 173.442 0 1 587 200 200 HIS CA C 53.474 0.058 1 588 200 200 HIS CB C 28.595 0.157 1 589 200 200 HIS N N 114.254 0.029 1 590 201 201 ASP H H 7.655 0.003 1 591 201 201 ASP C C 175.709 0.011 1 592 201 201 ASP CA C 54.362 0.016 1 593 201 201 ASP CB C 40.662 0.022 1 594 201 201 ASP N N 118.71 0.045 1 595 202 202 ASP H H 8.106 0.004 1 596 202 202 ASP C C 176.829 0.016 1 597 202 202 ASP CA C 54.445 0.037 1 598 202 202 ASP CB C 43.379 0.046 1 599 202 202 ASP N N 119.964 0 1 600 203 203 THR H H 8.588 0.008 1 601 203 203 THR N N 114.216 0.022 1 602 209 209 GLU H H 7.591 0.003 1 603 209 209 GLU C C 177.9 0.011 1 604 209 209 GLU CA C 58.114 0.095 1 605 209 209 GLU CB C 32.361 0.082 1 606 209 209 GLU N N 118.807 0 1 607 210 210 GLN H H 7.383 0.002 1 608 210 210 GLN C C 176.205 0.001 1 609 210 210 GLN CA C 56.447 0.028 1 610 210 210 GLN CB C 33.476 0.032 1 611 210 210 GLN N N 118.179 0.037 1 612 211 211 ARG H H 8.385 0.003 1 613 211 211 ARG C C 173.716 0.013 1 614 211 211 ARG CA C 51.118 0.014 1 615 211 211 ARG CB C 22.328 0.079 1 616 211 211 ARG N N 123.211 0.044 1 617 212 212 VAL H H 7.916 0.003 1 618 212 212 VAL CA C 54.963 0.017 1 619 212 212 VAL CB C 31.526 0.04 1 620 212 212 VAL N N 116.722 0.015 1 621 213 213 PHE H H 7.565 0.004 1 622 213 213 PHE C C 177.769 0 1 623 213 213 PHE CA C 56.412 0.005 1 624 213 213 PHE CB C 37.218 0.019 1 625 213 213 PHE N N 120.161 0.025 1 626 214 214 LEU H H 7.848 0.003 1 627 214 214 LEU C C 180.25 0.015 1 628 214 214 LEU CA C 57.578 0.001 1 629 214 214 LEU N N 118.868 0.044 1 630 215 215 LYS H H 8.703 0.003 1 631 215 215 LYS C C 177.634 0.005 1 632 215 215 LYS CA C 59.066 0.051 1 633 215 215 LYS CB C 31.959 0.022 1 634 215 215 LYS N N 122.621 0.02 1 635 216 216 ALA H H 7.493 0.004 1 636 216 216 ALA C C 177.902 0.035 1 637 216 216 ALA CA C 52.326 0.052 1 638 216 216 ALA CB C 18.449 0.028 1 639 216 216 ALA N N 117.864 0.056 1 640 217 217 GLY H H 8.137 0.003 1 641 217 217 GLY CA C 45.064 0.076 1 642 217 217 GLY N N 107.699 0.059 1 643 218 218 ASN H H 8.151 0.004 1 644 218 218 ASN C C 176.171 0.012 1 645 218 218 ASN CB C 35.532 0.082 1 646 218 218 ASN N N 121.009 0.059 1 647 219 219 LEU H H 7.839 0.004 1 648 219 219 LEU C C 177.905 0.003 1 649 219 219 LEU CA C 57.171 0.093 1 650 219 219 LEU N N 120.229 0.038 1 651 220 220 ASP H H 8.825 0.004 1 652 220 220 ASP C C 173.471 0.028 1 653 220 220 ASP CA C 54.246 0.015 1 654 220 220 ASP CB C 41.134 0.047 1 655 220 220 ASP N N 116.211 0.015 1 656 221 221 LEU H H 7.587 0.005 1 657 221 221 LEU C C 173.458 0.021 1 658 221 221 LEU CA C 54.218 0.011 1 659 221 221 LEU CB C 42.591 0.095 1 660 221 221 LEU N N 123.273 0.006 1 661 222 222 ASN H H 8.722 0.003 1 662 222 222 ASN C C 174.306 0 1 663 222 222 ASN CA C 49.849 0 1 664 222 222 ASN CB C 38.897 0 1 665 222 222 ASN N N 116.956 0.013 1 666 224 224 PRO C C 175.841 0 1 667 224 224 PRO CB C 34.734 0 1 668 225 225 LEU H H 9.032 0.004 1 669 225 225 LEU CA C 53.371 0.014 1 670 225 225 LEU N N 123.794 0.046 1 671 226 226 LYS H H 8.569 0.009 1 672 226 226 LYS C C 175.251 0.026 1 673 226 226 LYS CA C 55.594 0.058 1 674 226 226 LYS N N 122.36 0.024 1 675 227 227 TRP H H 8.666 0.003 1 676 227 227 TRP C C 172.357 0.012 1 677 227 227 TRP CA C 56.706 0.058 1 678 227 227 TRP CB C 32.177 0 1 679 227 227 TRP N N 125.259 0.04 1 680 228 228 LYS H H 7.761 0.005 1 681 228 228 LYS C C 178.322 0.037 1 682 228 228 LYS CA C 54.721 0 1 683 228 228 LYS CB C 38.334 0 1 684 228 228 LYS N N 115.546 0.047 1 685 229 229 THR H H 8.364 0.004 1 686 229 229 THR C C 174.319 0.024 1 687 229 229 THR CA C 59.971 0.048 1 688 229 229 THR CB C 70.392 0.078 1 689 229 229 THR N N 111.446 0.084 1 690 230 230 TYR H H 8.897 0.006 1 691 230 230 TYR C C 175.463 0.001 1 692 230 230 TYR N N 121.871 0.029 1 693 231 231 GLY H H 8.265 0.002 1 694 231 231 GLY CA C 45.092 0.062 1 695 231 231 GLY N N 103.739 0.021 1 696 232 232 ASP H H 8.581 0.003 1 697 232 232 ASP C C 172.737 0 1 698 232 232 ASP CA C 51.425 0 1 699 232 232 ASP CB C 40.248 0 1 700 232 232 ASP N N 124.27 0.1 1 701 233 233 PRO CA C 61.583 0 1 702 233 233 PRO CB C 32.419 0 1 703 234 234 TYR H H 8.271 0.002 1 704 234 234 TYR C C 174.3 0 1 705 234 234 TYR CA C 57.389 0.206 1 706 234 234 TYR CB C 42.463 0 1 707 234 234 TYR N N 119.054 0.006 1 708 235 235 VAL H H 7.981 0.004 1 709 235 235 VAL C C 174.713 0.014 1 710 235 235 VAL CA C 59.894 0.03 1 711 235 235 VAL CB C 35.717 0.019 1 712 235 235 VAL N N 117.656 0.063 1 713 236 236 ILE H H 8.905 0.002 1 714 236 236 ILE C C 176.024 0.011 1 715 236 236 ILE CA C 61.732 0.024 1 716 236 236 ILE CB C 42.353 0.016 1 717 236 236 ILE N N 124.394 0.005 1 718 237 237 ASN H H 9.354 0.004 1 719 237 237 ASN C C 174.275 0.009 1 720 237 237 ASN CA C 55.325 0.063 1 721 237 237 ASN CB C 40.217 0.099 1 722 237 237 ASN N N 126.016 0.026 1 723 238 238 SER H H 7.587 0.003 1 724 238 238 SER C C 176.868 0 1 725 238 238 SER CA C 59.456 0 1 726 238 238 SER CB C 64.588 0 1 727 238 238 SER N N 116.767 0.051 1 stop_ save_